SCHEMBL13752802

SCHEMBL13752802

CCC[C@H](C(=O)OC)[C@@H](CCC)C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.40
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ADRA1A P35348 2/20 0.33
AKR1A1 P14550 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL721542 0.89 CA1 (0.50) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL28017335 0.83 CA1 (0.50) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL4756217 0.81 CHRM1 (0.44) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL13752800 0.81 CHRM1 (0.44) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL4756212 0.81 CHRM1 (0.44) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL15015726 0.81 CHRM1 (0.44) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL18124656 0.78 CA1 (0.45) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL18124693 0.78 CA1 (0.45) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL18124651 0.78 CA1 (0.45) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL11665740 0.77 CA1 (0.44) CA1CA2ZDHHC7HDAC7HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity FABP4, GPR119, LIPC CA1 4865/4885CA2 4415/4885ZDHHC7 288/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.